Update all examples to use the new hypers

Luthaf · Nov 14, 2024 · 9ccb4d8 · 9ccb4d8
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diff --git a/docs/src/how-to/long-range.rst b/docs/src/how-to/long-range.rst
@@ -3,44 +3,44 @@
 Long-range only LODE descriptor
 ===============================
 
-Temporarily deactivated example
+The :py:class:`LodeSphericalExpansion <rascaline.LodeSphericalExpansion>` allows
+the calculation of a descriptor that includes all atoms within the system and
+projects them onto a spherical expansion/ fingerprint within a given ``cutoff``.
+This is very useful if long-range interactions between atoms are important to
+describe the physics and chemistry of a collection of atoms. However, as stated
+the descriptor contains **ALL** atoms of the system and sometimes it can be
+desired to only have a long-range/exterior only descriptor that only includes
+the atoms outside a given cutoff. Sometimes there descriptors are also denoted
+by far-field descriptors.
 
-.. The :py:class:`LodeSphericalExpansion <rascaline.LodeSphericalExpansion>` allows the
-.. calculation of a descriptor that includes all atoms within the system and projects them
-.. onto a spherical expansion/ fingerprint within a given ``cutoff``. This is very useful
-.. if long-range interactions between atoms are important to describe the physics and
-.. chemistry of a collection of atoms. However, as stated the descriptor contains **ALL**
-.. atoms of the system and sometimes it can be desired to only have a long-range/exterior
-.. only descriptor that only includes the atoms outside a given cutoff. Sometimes there
-.. descriptors are also denoted by far-field descriptors.
+A long range only descriptor can be particular useful when one already has a
+good descriptor for the short-range density like (SOAP) and the long-range
+descriptor (far field) should contain different information from what the
+short-range descriptor already offers.
 
-.. A long range only descriptor can be particular useful when one already has a good
-.. descriptor for the short-range density like (SOAP) and the long-range descriptor (far
-.. field) should contain different information from what the short-range descriptor already
-.. offers.
+Such descriptor can be constructed within `rascaline` as sketched by the image
+below.
 
-.. Such descriptor can be constructed within `rascaline` as sketched by the image below.
+.. figure:: ../../static/images/long-range-descriptor.*
+    :align: center
 
-.. .. figure:: ../../static/images/long-range-descriptor.*
-..     :align: center
+In this example will construct such a descriptor using the :ref:`radial integral
+splining <python-utils-splines>` tools of `rascaline`.
 
-.. In this example will construct such a descriptor using the :ref:`radial integral
-.. splining <python-utils-splines>` tools of `rascaline`.
+.. tabs::
 
-.. .. tabs::
+    .. group-tab:: Python
 
-..     .. group-tab:: Python
+        .. container:: sphx-glr-footer sphx-glr-footer-example
 
-..         .. container:: sphx-glr-footer sphx-glr-footer-example
+            .. container:: sphx-glr-download sphx-glr-download-python
 
-..             .. container:: sphx-glr-download sphx-glr-download-python
+                :download:`Download Python source code for this example: long-range-descriptor.py <../examples/long-range-descriptor.py>`
 
-..                 :download:`Download Python source code for this example: long-range-descriptor.py <../examples/long-range-descriptor.py>`
+            .. container:: sphx-glr-download sphx-glr-download-jupyter
 
-..             .. container:: sphx-glr-download sphx-glr-download-jupyter
+                :download:`Download Jupyter notebook for this example: long-range-descriptor.ipynb <../examples/long-range-descriptor.ipynb>`
 
-..                 :download:`Download Jupyter notebook for this example: long-range-descriptor.ipynb <../examples/long-range-descriptor.ipynb>`
-
-..         .. include:: ../examples/long-range-descriptor.rst
-..             :start-after: start-body
-..             :end-before: end-body
+        .. include:: ../examples/long-range-descriptor.rst
+            :start-after: start-body
+            :end-before: end-body
diff --git a/docs/src/how-to/splined-radial-integral.rst b/docs/src/how-to/splined-radial-integral.rst
@@ -3,26 +3,24 @@
 Splined radial integral
 =======================
 
-Temporarily deactivated example
+This examples shows how to feed custom radial integrals (as splines) to the Rust
+calculators that use radial integrals: the SOAP and LODE spherical expansions,
+and any other calculator based on these.
 
-.. This examples shows how to feed custom radial integrals (as splines) to the Rust
-.. calculators that use radial integrals: the SOAP and LODE spherical expansions,
-.. and any other calculator based on these.
+.. tabs::
 
-.. .. tabs::
+    .. group-tab:: Python
 
-..     .. group-tab:: Python
+        .. container:: sphx-glr-footer sphx-glr-footer-example
 
-..         .. container:: sphx-glr-footer sphx-glr-footer-example
+            .. container:: sphx-glr-download sphx-glr-download-python
 
-..             .. container:: sphx-glr-download sphx-glr-download-python
+                :download:`Download Python source code for this example: tabulated.py <../examples/splined-radial-integral.py>`
 
-..                 :download:`Download Python source code for this example: tabulated.py <../examples/splined-radial-integral.py>`
+            .. container:: sphx-glr-download sphx-glr-download-jupyter
 
-..             .. container:: sphx-glr-download sphx-glr-download-jupyter
+                :download:`Download Jupyter notebook for this example: tabulated.ipynb <../examples/splined-radial-integral.ipynb>`
 
-..                 :download:`Download Jupyter notebook for this example: tabulated.ipynb <../examples/splined-radial-integral.ipynb>`
-
-..         .. include:: ../examples/splined-radial-integral.rst
-..             :start-after: start-body
-..             :end-before: end-body
+        .. include:: ../examples/splined-radial-integral.rst
+            :start-after: start-body
+            :end-before: end-body
diff --git a/docs/src/references/api/python/misc.rst b/docs/src/references/api/python/misc.rst
@@ -15,3 +15,5 @@ Miscellaneous
     :undoc-members:
 
 .. autofunction:: rascaline.convert_hypers
+
+.. autofunction:: rascaline.utils.hypers_to_json
diff --git a/python/rascaline/examples/.gitignore b/python/rascaline/examples/.gitignore
@@ -0,0 +1 @@
+splined-hypers.json